1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine

C11H9FN4OS — CID 56603013

IUPAC1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine
SMILESNc1ccn(-c2nc3ccc(OC[18F])cc3s2)n1
InChIInChI=1S/C11H9FN4OS/c12-6-17-7-1-2-8-9(5-7)18-11(14-8)16-4-3-10(13)15-16/h1-5H,6H2,(H2,13,15)/i12-1
InChIKeyIIDVETDMOJKXEU-DWSYCVKZSA-N
MW263.29 g/mol
LogP2.37
Rot. Bonds3

About 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine

1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine (PubChem CID 56603013) has the molecular formula C11H9FN4OS and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine
PubChem CID56603013
Molecular FormulaC11H9FN4OS
Molecular Weight263.29 g/mol
Exact Mass263.05
IUPAC Name1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine
SMILESNc1ccn(-c2nc3ccc(OC[18F])cc3s2)n1
InChIInChI=1S/C11H9FN4OS/c12-6-17-7-1-2-8-9(5-7)18-11(14-8)16-4-3-10(13)15-16/h1-5H,6H2,(H2,13,15)/i12-1
InChIKeyIIDVETDMOJKXEU-DWSYCVKZSA-N
XLogP2.37
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine?
The IUPAC name of 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine (CID 56603013) is 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine?
The canonical SMILES for 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine is Nc1ccn(-c2nc3ccc(OC[18F])cc3s2)n1.
What is the InChIKey of 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine?
The InChIKey is IIDVETDMOJKXEU-DWSYCVKZSA-N. The full InChI is InChI=1S/C11H9FN4OS/c12-6-17-7-1-2-8-9(5-7)18-11(14-8)16-4-3-10(13)15-16/h1-5H,6H2,(H2,13,15)/i12-1.
What are the key properties of 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine?
1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine has a molecular weight of 263.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine is sourced from PubChem (CID 56603013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).